0 mol 1 unq 0 iso 0 dist 6.06669 9.25624 7.64327 13.5153 8.69605 7.80436 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.06669 5.84895 8.28595 13.5153 8.69605 11.681 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.06669 3.79575 9.31967 13.5153 8.69605 15.5375 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 8.40835 3.71371 7.86029 4.81503 7.65802 4.61408 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 5.75102 5.31671 9.3877 12.2856 8.92529 12.1458 numMergedOcc 0
5 mol 71 unq 1 iso 0 dist 8.80254 7.01416 9.3877 14.1584 8.92529 12.1458 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.70106 14.2575 8.10965 5.40051 8.078 12.706 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 8.70106 14.2575 8.10965 14.0531 6.56481 3.9634 numMergedOcc 0
8 mol 104 unq 0 iso 0 dist 6.14066 8.5613 5.46461 5.30572 5.71279 4.86912 numMergedOcc 0
9 mol 104 unq 1 iso 0 dist 6.14066 8.5613 5.46461 5.886 6.18499 4.27462 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 7.14447 4.73274 5.52837 9.07803 9.39389 4.8602 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 9.67457 13.4598 8.99371 6.29723 8.41727 8.89786 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 6.45502 10.9769 8.6903 13.5755 9.38856 4.0331 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 8.66056 11.0962 8.6903 12.9207 9.38856 4.0331 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 3.87901 6.29065 8.19939 8.4352 7.21397 7.20315 numMergedOcc 0
15 mol 165 unq 1 iso 0 dist 5.04534 7.20557 8.19939 5.73847 7.21397 7.20315 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.6514 6.25478 7.04009 8.3419 7.20545 4.91302 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 9.20296 10.9007 9.40683 8.18227 6.38294 6.55569 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 8.74957 11.6419 8.73074 4.61344 9.87574 15.3415 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 7.91967 15.0552 8.73074 9.72265 9.87574 15.3415 numMergedOcc 0
20 mol 198 unq 2 iso 0 dist 7.83611 7.54337 8.73074 17.1351 9.87574 15.3415 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.72756 9.55542 7.24135 7.85975 9.38188 8.49394 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 7.5696 6.67496 7.30459 9.55695 6.20044 8.3119 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 7.5696 6.67496 7.30459 7.67211 8.41232 4.008 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 7.5696 6.81615 8.73423 9.55695 6.20044 13.884 numMergedOcc 0
25 mol 204 unq 4 iso 0 dist 7.5696 6.81615 8.73423 7.67211 8.41232 12.8942 numMergedOcc 0
26 mol 204 unq 5 iso 0 dist 9.3369 4.7869 6.97502 13.6696 9.90757 9.01719 numMergedOcc 0
27 mol 204 unq 6 iso 0 dist 9.3369 16.4963 8.8078 13.6696 9.90757 7.14378 numMergedOcc 0
28 mol 246 unq 0 iso 0 dist 4.7583 4.96684 8.94816 4.50365 8.16617 5.32561 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 9.31855 12.2252 8.85493 11.2871 8.19645 5.07471 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 9.11602 9.45859 7.64715 7.31462 8.40726 4.23467 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 9.11602 9.45859 7.64715 6.64598 5.15923 5.71189 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 9.11602 14.2612 8.50508 7.31462 8.40726 10.478 numMergedOcc 0
33 mol 287 unq 3 iso 0 dist 9.11602 14.2612 8.50508 6.64598 5.15923 8.049 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.11602 9.45859 7.64715 7.31462 8.40726 4.23467 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 9.11602 9.45859 7.64715 6.64598 5.15923 5.71189 numMergedOcc 0
36 mol 288 unq 2 iso 0 dist 9.11602 14.2612 8.50508 7.31462 8.40726 10.478 numMergedOcc 0
37 mol 288 unq 3 iso 0 dist 9.11602 14.2612 8.50508 6.64598 5.15923 8.049 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 9.11602 9.45859 7.64715 7.31462 8.40726 4.23467 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 9.11602 9.45859 7.64715 6.64598 5.15923 5.71189 numMergedOcc 0
40 mol 289 unq 2 iso 0 dist 9.11602 14.2612 8.50508 7.31462 8.40726 10.478 numMergedOcc 0
41 mol 289 unq 3 iso 0 dist 9.11602 14.2612 8.50508 6.64598 5.15923 8.049 numMergedOcc 0
